SCHEMBL8738045

SCHEMBL8738045

CCCNCCCN1CCN(C)CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.43
USP2 O75604 1/20 0.42
PAOX Q6QHF9 2/20 0.40
GNAI3 P08754 2/20 0.39
GNAO1 P09471 2/20 0.39
GNAI1 P63096 2/20 0.39
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
KDM1A O60341 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
CSNK2A3 Q8NEV1 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13822725 0.94 ACE2 (0.48) ACE2USP2PAOXGNAI3GNAO1
SCHEMBL4392341 0.91 ACE2 (0.50) ACE2USP2PAOXSIGMAR1KDM1A
SCHEMBL21120466 0.88 ALDH1A1 (0.50) ACE2USP2PAOXGNAI3GNAO1
SCHEMBL13655836 0.88 ACE2 (0.43) ACE2USP2PAOXGNAI3GNAO1
SCHEMBL22416389 0.87 ACE2 (0.52) ACE2USP2PAOXGNAI3GNAO1
SCHEMBL10099919 0.85 CYP2C19 (0.44) ACE2USP2PAOXTLR8TLR7
SCHEMBL6739265 0.85 CARM1 (0.46) ACE2PAOXSIGMAR1KDM1AALDH1A1
SCHEMBL4392290 0.85 PAOX (0.48) ACE2USP2PAOXGNAI3GNAO1
SCHEMBL4396749 0.85 ACE2 (0.48) ACE2USP2PAOXGNAI3GNAO1
SCHEMBL4393776 0.85 ACE2 (0.48) ACE2USP2PAOXGNAI3GNAO1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023114188-A1 IONIZABLE LIPIDS AND COMPOSITIONS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2023-06-22 WO disclosed
US-20220098210-A1 QUINDOLINE COMPOUNDS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-03-31 US disclosed
US-8992991-B2 Multicomponent degradable cationic polymers THE JOHNS HOPKINS UNIVERSITY (US) 2015-03-31 US disclosed
US-8992991-B2 Multicomponent degradable cationic polymers THE JOHNS HOPKINS UNIVERSITY (US) 2015-03-31 US disclosed
US-20120128782-A1 Multicomponent Degradable Cationic Polymers THE JOHNS HOPKINS UNIVERSITY (US) 2012-05-24 US disclosed
US-20120128782-A1 Multicomponent Degradable Cationic Polymers THE JOHNS HOPKINS UNIVERSITY (US) 2012-05-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220098210-A1 QUINDOLINE COMPOUNDS AND USES THEREOF RECQL, XPO7, XPOT ACE2 3260/4885USP2 3840/4885PAOX 3315/4885
US-20120128782-A1 Multicomponent Degradable Cationic Polymers PEF1, FIBP, PARN ACE2 4540/4885USP2 1621/4885PAOX 1525/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.